Chemical Properties of Propiolactone (CAS 57-57-8)

InChI

InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2

InChI Key

VEZXCJBBBCKRPI-UHFFFAOYSA-N

Formula

C3H4O2

SMILES

O=C1CCO1

Molecular Weight¹

72.06

CAS

57-57-8

Other Names

• 1,3-Propiolactone
• 2-Oxacyclobutanone
• 2-Oxetanone
• 2-Oxooxetane
• 3-Hydroxypropionic acid «beta»-lactone
• 3-Hydroxypropionic acid «beta»-lactone
• 3-Hydroxypropionic acid, lactone
• 3-Propanolide
• 3-Propiolactone
• BPL
• Beta-propiolactone
• Betaprone
• Hydracrylic acid «beta»-lactone
• Hydracrylic acid «beta»-lactone
• NSC-21626
• Oxetan-2-one
• Propanoic acid, 3-hydroxy-, «beta»-lactone
• Propanoic acid, 3-hydroxy-, «beta»-lactone
• Propanolide
• Propiolactone «beta»-
• Propiolactone «beta»-
• Propionic acid, 3-hydroxy-, «beta»-lactone
• Propionic acid, 3-hydroxy-, «beta»-lactone
• Propionolactone
• «beta»-Propanoic acid lactone
• «beta»-Propiolactone
• «beta»-Propiolakton
• «beta»-Propionolactone
• «beta»-Propriolactone
• «beta»-Proprolactone
• «beta»-lactone hydracrylic acid
• «beta»-Propanoic acid lactone
• «beta»-Propiolactone
• «beta»-Propiolakton
• «beta»-Propionolactone
• «beta»-Propriolactone
• «beta»-Proprolactone
• «beta»-lactone hydracrylic acid

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-1422.30; -1419.00]	kJ/mol
ΔcH°liquid	-1419.00 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-1422.30 ± 0.84	kJ/mol	NIST
ΔfG°	-177.97	kJ/mol	Joback Calculated Property
ΔfH°gas	[-286.20; -282.90]	kJ/mol
ΔfH°gas	-286.20	kJ/mol	NIST
ΔfH°gas	-282.90	kJ/mol	NIST
ΔfH°gas	-282.90 ± 0.84	kJ/mol	NIST
ΔfH°liquid	[-333.20; -329.90]	kJ/mol
ΔfH°liquid	-333.20 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-329.90 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-329.90 ± 0.84	kJ/mol	NIST
ΔfusH°	5.98	kJ/mol	Joback Calculated Property
ΔvapH°	[47.00; 47.03]	kJ/mol
ΔvapH°	47.03 ± 0.04	kJ/mol	NIST
ΔvapH°	47.00	kJ/mol	NIST
ΔvapH°	47.00 ± 0.10	kJ/mol	NIST
IE	9.70 ± 0.01	eV	NIST
log10WS	0.16		Crippen Calculated Property
logPoct/wat	-0.067		Crippen Calculated Property
McVol	49.710	ml/mol	McGowan Calculated Property
Pc	5990.66	kPa	Joback Calculated Property
S°liquid	[175.30; 175.40]	J/mol×K
S°liquid	175.30	J/mol×K	NIST
S°liquid	175.40	J/mol×K	NIST
Tboil	435.20	K	NIST
Tc	594.39	K	Joback Calculated Property
Tfus	237.02	K	Joback Calculated Property
Ttriple	[239.86; 239.86]	K
Ttriple	239.86 ± 0.02	K	NIST
Ttriple	239.86 ± 0.01	K	NIST
Vc	0.181	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[84.76; 123.16]	J/mol×K	[378.49; 594.39]
Cp,gas	84.76	J/mol×K	378.49	Joback Calculated Property
Cp,gas	91.87	J/mol×K	414.47	Joback Calculated Property
Cp,gas	98.70	J/mol×K	450.46	Joback Calculated Property
Cp,gas	105.24	J/mol×K	486.44	Joback Calculated Property
Cp,gas	111.50	J/mol×K	522.42	Joback Calculated Property
Cp,gas	117.47	J/mol×K	558.40	Joback Calculated Property
Cp,gas	123.16	J/mol×K	594.39	Joback Calculated Property
Cp,liquid	[122.10; 122.20]	J/mol×K	[298.15; 298.15]
Cp,liquid	122.10	J/mol×K	298.15	NIST
Cp,liquid	122.20	J/mol×K	298.15	NIST
ΔfusH	[9.41; 9.41]	kJ/mol	[239.86; 239.90]
ΔfusH	9.41	kJ/mol	239.86	NIST
ΔfusH	9.41	kJ/mol	239.86	NIST
ΔfusH	9.41	kJ/mol	239.90	NIST
ΔvapH	46.40	kJ/mol	379.50	NIST
ΔfusS	[39.23; 39.23]	J/mol×K	[239.86; 239.86]
ΔfusS	39.23	J/mol×K	239.86	NIST
ΔfusS	39.23	J/mol×K	239.86	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[325.01; 485.94]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37466e+01
Coefficient B			-3.63658e+03
Coefficient C			-5.48150e+01
Temperature range, min.			325.01
Temperature range, max.			485.94
Pvap	1.33	kPa	325.01	Calculated Property
Pvap	3.07	kPa	342.89	Calculated Property
Pvap	6.43	kPa	360.77	Calculated Property
Pvap	12.39	kPa	378.65	Calculated Property
Pvap	22.30	kPa	396.53	Calculated Property
Pvap	37.86	kPa	414.42	Calculated Property
Pvap	61.12	kPa	432.30	Calculated Property
Pvap	94.50	kPa	450.18	Calculated Property
Pvap	140.69	kPa	468.06	Calculated Property
Pvap	202.66	kPa	485.94	Calculated Property

Similar Compounds

Find more compounds similar to Propiolactone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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